SCHEMBL2848290

SCHEMBL2848290

O=C(NCc1ccccc1Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.60
CCR1 P32246 3/20 0.57
NR3C1 P04150 3/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TRPC3 Q13507 1/20 0.52
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DGAT2 Q96PD7 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
DDR1 Q08345 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2850016 0.93 KDM4E (0.65) P2RX7NR3C1KDM4EALDH1A1TRPC3
SCHEMBL2850363 0.89 CCR1 (0.59) P2RX7CCR1NR3C1KDM4EALDH1A1
SCHEMBL2851005 0.88 P2RX7 (0.66) P2RX7CCR1KDM4EALDH1A1TRPC3
SCHEMBL2857426 0.86 CCR1 (0.55) P2RX7CCR1KDM4EALDH1A1MAPT
SCHEMBL2852637 0.85 NR3C1 (0.64) P2RX7CCR1NR3C1KDM4EALDH1A1
SCHEMBL2852896 0.85 KDM4E (0.63) CCR1KDM4EALDH1A1MAPTPOLB
SCHEMBL2856181 0.83 CCR1 (0.56) P2RX7CCR1KDM4EALDH1A1TRPC3
SCHEMBL2854563 0.83 P2RX7 (0.57) P2RX7CCR1NR3C1KDM4EALDH1A1
SCHEMBL2852102 0.83 ALDH1A1 (0.67) CCR1KDM4EALDH1A1MAPTPOLB
SCHEMBL2858070 0.82 CCR1 (0.57) P2RX7CCR1KDM4EALDH1A1TRPC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed